REMARK  Name = BDB001040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.032  -1.282   2.141  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.192  -0.714   1.776  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.132  -1.480   1.073  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.827  -2.815   0.762  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.614  -3.382   1.160  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.320  -2.617   1.857  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.107  -0.615   4.073  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.030  -0.468   2.856  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        1.837   0.401   2.119  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        1.777   0.557   0.661  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.826  -0.312  -0.059  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        4.209   0.222  -0.056  0.00  0.00    -0.299 NA
ATOM     13  C   LIG    1        4.739   0.416   1.309  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        4.076   1.575   2.056  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        2.841   1.163   2.849  0.00  0.00    +0.109 C 
BRANCH  12  16
ATOM     16  C   LIG    1        5.117  -0.687  -0.807  0.00  0.00    +0.112 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.866  -0.645  -2.323  0.00  0.00    +0.171 C 
BRANCH  17  18
ATOM     18  O   LIG    1        4.819   0.709  -2.768  0.00  0.00    -0.394 OA
ATOM     19  H   LIG    1        4.454   1.209  -2.010  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.438  -0.864   0.632  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.367  -0.033  -0.647  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -4.613   0.625  -1.124  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -4.534   1.378  -2.292  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -5.666   2.027  -2.802  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -6.885   1.919  -2.135  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.972   1.166  -0.965  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.244   1.486  -2.990  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1       -3.128   2.136  -4.023  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -2.191   0.820  -2.416  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1       -1.293   0.877  -2.888  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1       -5.841   0.518  -0.457  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1       -2.235   0.077  -1.279  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6